2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitro-imidazol-1-yl]ethyl benzoate

Systemtic Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitro-imidazol-1-yl]ethyl benzoate Openeye Name: 2-[2-[(E)-2-(dimethylamino)vinyl]-5-nitro-imidazol-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-5-nitroimidazol-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[2-[(E)-2-(dimethylamino)vinyl]-5-nitro-imidazol-1-yl]ethyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)/C=C/C1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-18(2)9-8-14-17-12-15(20(22)23)19(14)10-11-24-16(21)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+